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(R)-(-)-2-acetoxy-2-phenylpropanenitrile

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(R)-(-)-2-acetoxy-2-phenylpropanenitrile
SpectraBase Compound ID 4oveFTaI3ek
InChI InChI=1S/C11H11NO2/c1-9(13)14-11(2,8-12)10-6-4-3-5-7-10/h3-7H,1-2H3/t11-/m0/s1
InChIKey YSBLMHQWCQTPMT-NSHDSACASA-N
Mol Weight 189.21 g/mol
Molecular Formula C11H11NO2
Exact Mass 189.078979 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LGe7ASdM16D
Name (R)-(-)-2-acetoxy-2-phenylpropanenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 189.078978596 u
Formula C11H11NO2
InChI InChI=1S/C11H11NO2/c1-9(13)14-11(2,8-12)10-6-4-3-5-7-10/h3-7H,1-2H3/t11-/m0/s1
InChIKey YSBLMHQWCQTPMT-NSHDSACASA-N
Molecular Weight 189.214 g/mol
SMILES [C@](C#N)(OC(=O)C)(C=1C=CC=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.894844